5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine

C13H19N3O — CID 169145727

IUPAC5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(C)c1ncno1
InChIInChI=1S/C8H11N.C5H8N2O/c1-7(2)8-5-3-4-6-9-8;1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;3-4H,1-2H3
InChIKeyZTEURVVHBRYPAN-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.40
Rot. Bonds2

About 5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine

5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine (PubChem CID 169145727) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine
PubChem CID169145727
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(C)c1ncno1
InChIInChI=1S/C8H11N.C5H8N2O/c1-7(2)8-5-3-4-6-9-8;1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;3-4H,1-2H3
InChIKeyZTEURVVHBRYPAN-UHFFFAOYSA-N
XLogP3.40
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 158875666
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
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cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
1-methylpiperidine;2-propan-2-ylpyridine
CID 156652028
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
2-pyridin-2-ylpropan-1-amine
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methane;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;yttrium
CID 161379957

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine?
The IUPAC name of 5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine (CID 169145727) is 5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine.
What is the SMILES notation for 5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine?
The canonical SMILES for 5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine is CC(C)c1ccccn1.CC(C)c1ncno1.
What is the InChIKey of 5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine?
The InChIKey is ZTEURVVHBRYPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C5H8N2O/c1-7(2)8-5-3-4-6-9-8;1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;3-4H,1-2H3.
What are the key properties of 5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine?
5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine has a molecular weight of 233.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine is sourced from PubChem (CID 169145727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).